Public chemical compound databases - PubMed (original) (raw)
Review
. 2008 May;11(3):393-404.
Affiliations
- PMID: 18428094
Review
Public chemical compound databases
Anthony J Williams. Curr Opin Drug Discov Devel. 2008 May.
Abstract
The internet has rapidly become the first port of call for all information searches. The increasing array of chemistry-related resources that are now available provides chemists with a direct path to the information that was previously accessed via library services and was limited by commercial and costly resources. The diversity of the information that can be accessed online is expanding at a dramatic rate, and the support for publicly available resources offers significant opportunities in terms of the benefits to science and society. While the data online do not generally meet the quality standards of manually curated sources, there are efforts underway to gather scientists together and 'crowdsource' an improvement in the quality of the available data. This review discusses the types of public compound databases that are available online and provides a series of examples. Focus is also given to the benefits and disruptions associated with the increased availability of such data and the integration of technologies to data mine this information.
Similar articles
- A perspective of publicly accessible/open-access chemistry databases.
Williams AJ. Williams AJ. Drug Discov Today. 2008 Jun;13(11-12):495-501. doi: 10.1016/j.drudis.2008.03.017. Epub 2008 May 15. Drug Discov Today. 2008. PMID: 18549975 - A quality alert and call for improved curation of public chemistry databases.
Williams AJ, Ekins S. Williams AJ, et al. Drug Discov Today. 2011 Sep;16(17-18):747-50. doi: 10.1016/j.drudis.2011.07.007. Epub 2011 Jul 30. Drug Discov Today. 2011. PMID: 21871970 - Improving structure-linked access to publicly available chemical toxicity information.
Richard AM, Williams CR, Cariello NF. Richard AM, et al. Curr Opin Drug Discov Devel. 2002 Jan;5(1):136-43. Curr Opin Drug Discov Devel. 2002. PMID: 11865667 Review. - Chemistry in bioinformatics.
Murray-Rust P, Mitchell JB, Rzepa HS. Murray-Rust P, et al. BMC Bioinformatics. 2005 Jun 7;6:141. doi: 10.1186/1471-2105-6-141. BMC Bioinformatics. 2005. PMID: 15941476 Free PMC article. - Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation.
Williams AJ, Ekins S, Tkachenko V. Williams AJ, et al. Drug Discov Today. 2012 Jul;17(13-14):685-701. doi: 10.1016/j.drudis.2012.02.013. Epub 2012 Mar 8. Drug Discov Today. 2012. PMID: 22426180 Review.
Cited by
- In Vitro Evaluation of the Anti-Diabetic Potential of Aqueous Acetone Helichrysum petiolare Extract (AAHPE) with Molecular Docking Relevance in Diabetes Mellitus.
Akinyede KA, Oyewusi HA, Hughes GD, Ekpo OE, Oguntibeju OO. Akinyede KA, et al. Molecules. 2021 Dec 28;27(1):155. doi: 10.3390/molecules27010155. Molecules. 2021. PMID: 35011387 Free PMC article. - Open Drug Discovery Teams: A Chemistry Mobile App for Collaboration.
Ekins S, Clark AM, Williams AJ. Ekins S, et al. Mol Inform. 2012 Aug;31(8):585-597. doi: 10.1002/minf.201200034. Epub 2012 Aug 6. Mol Inform. 2012. PMID: 23198003 Free PMC article. - DrugBank 3.0: a comprehensive resource for 'omics' research on drugs.
Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Knox C, et al. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41. doi: 10.1093/nar/gkq1126. Epub 2010 Nov 8. Nucleic Acids Res. 2011. PMID: 21059682 Free PMC article. - Diacetylspermine Is a Novel Prediagnostic Serum Biomarker for Non-Small-Cell Lung Cancer and Has Additive Performance With Pro-Surfactant Protein B.
Wikoff WR, Hanash S, DeFelice B, Miyamoto S, Barnett M, Zhao Y, Goodman G, Feng Z, Gandara D, Fiehn O, Taguchi A. Wikoff WR, et al. J Clin Oncol. 2015 Nov 20;33(33):3880-6. doi: 10.1200/JCO.2015.61.7779. Epub 2015 Aug 17. J Clin Oncol. 2015. PMID: 26282655 Free PMC article. - Degradation of phenylethanoid glycosides in Osmanthus fragrans Lour. flowers and its effect on anti-hypoxia activity.
Zhou F, Zhao Y, Li M, Xu T, Zhang L, Lu B, Wu X, Ge Z. Zhou F, et al. Sci Rep. 2017 Aug 30;7(1):10068. doi: 10.1038/s41598-017-10411-0. Sci Rep. 2017. PMID: 28855701 Free PMC article.
Publication types
MeSH terms
LinkOut - more resources
Miscellaneous